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Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions

Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-principles calculations and experiment to explain this change in transport properties through a shift in the local electrostati...

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Autor Principal: Arroyo Rodr?guez, Carlos
Formato: Artículos
Lenguaje:eng
Publicado: 2016
Materias:
DENSITY FUNCTIONAL THEORY
MOLECULAR CONDUCTANCE
SINGLE MOLECULE ELECTRONICS
SOLVENT EFFECTS
Acceso en línea:http://repositorio.educacionsuperior.gob.ec/handle/28000/2907
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spelling oai:localhost:28000-29072017-04-12T14:47:05Z Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions Arroyo Rodr?guez, Carlos DENSITY FUNCTIONAL THEORY MOLECULAR CONDUCTANCE SINGLE MOLECULE ELECTRONICS SOLVENT EFFECTS Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-principles calculations and experiment to explain this change in transport properties through a shift in the local electrostatic potential at the junction caused by nearby conducting and solvent molecules chemically bound to the electrodes. This effect is found to alter the conductance of 4,4?-bipyridine-gold junctions by more than 50%. Moreover, we develop a general electrostatic model that quantitatively relates the conductance and dipoles associated with the bound solvent and conducting molecules. Our work shows that solvent-induced effects can be used to control charge and energy transport at molecular-scale interfaces. Keywords: density functional theory; molecular conductance; single molecule electronics; solvent effects Universidad De Las Fuerzas Armadas http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.5b00990?journalCode=nalefd 2016-11-09T02:14:22Z 2016-11-09T02:14:22Z 2015 article Kotiuga, Michele. et al. (2015). Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions. Nano Letters, Vol 15, n?m 7 pp. 4498?4503 1530-6992 http://repositorio.educacionsuperior.gob.ec/handle/28000/2907 eng openAccess pp. 4498?4503
institution SENESCYT
collection Repositorio SENESCYT
biblioteca Biblioteca Senescyt
language eng
format Artículos
topic DENSITY FUNCTIONAL THEORY
MOLECULAR CONDUCTANCE
SINGLE MOLECULE ELECTRONICS
SOLVENT EFFECTS
spellingShingle DENSITY FUNCTIONAL THEORY
MOLECULAR CONDUCTANCE
SINGLE MOLECULE ELECTRONICS
SOLVENT EFFECTS
Arroyo Rodr?guez, Carlos
Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
description Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-principles calculations and experiment to explain this change in transport properties through a shift in the local electrostatic potential at the junction caused by nearby conducting and solvent molecules chemically bound to the electrodes. This effect is found to alter the conductance of 4,4?-bipyridine-gold junctions by more than 50%. Moreover, we develop a general electrostatic model that quantitatively relates the conductance and dipoles associated with the bound solvent and conducting molecules. Our work shows that solvent-induced effects can be used to control charge and energy transport at molecular-scale interfaces. Keywords: density functional theory; molecular conductance; single molecule electronics; solvent effects
author Arroyo Rodr?guez, Carlos
author_facet Arroyo Rodr?guez, Carlos
author_sort Arroyo Rodr?guez, Carlos
title Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
title_short Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
title_full Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
title_fullStr Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
title_full_unstemmed Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions
title_sort adsorption-induced solvent-based electrostatic gating of charge transport through molecular junctions
publishDate 2016
url http://repositorio.educacionsuperior.gob.ec/handle/28000/2907
_version_ 1634995096178917376
score 11,871979

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